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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesquiterpenoid > oxytropiol i
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > oxytropiol i

Preferred term

oxytropiol i  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C15H26O3

inchi

  • InChI=1S/C15H26O3/c1-10-4-5-13-12(10)8-11(14(2,3)17)6-7-15(13,18)9-16/h8,10,12-13,16-18H,4-7,9H2,1-3H3/t10-,12-,13-,15-/m1/s1

inchikey

  • ZVMYTSXRVCZAMS-BPGGGUHBSA-N

mass

  • 254.370

monoisotopicmass

  • 254.18819

smiles

  • O[C@@]1([C@H]2[C@H](C=C(CC1)C(O)(C)C)[C@H](C)CC2)CO

subset

  • 2_STAR

synonym EXACT

  • (1R,3aR,4S,8aS)-4-(hydroxymethyl)-7-(2-hydroxypropan-2-yl)-1-methyl-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227691

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